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Table A.1

Radial parameters (in cm-1) adopted for the calculations in Se v.

Configuration Parameter HFR Fitted Ratio Notea

Even parity
4s2 Eav 7245 7181
4p2 Eav 220 372 224 026
F2(4p, 4p) 59 154 53 762 0.909
α 0 457
ζ 4p 3088 3450 1.117
4s4d Eav 258 748 261 651
ζ 4d 182 226 1.243
G2(4s, 4d) 37 575 24 976 0.665
4s5d Eav 383 599 385 096
ζ 5d 78 112 1.432
G2(4s, 5d) 9177 5099 0.556
4s5s Eav 288 014 289 501
G0(4s, 5s) 5161 4002 0.775
4s6s Eav 394 954 396 461
G0(4s, 6s) 1704 1504 0.883
Odd parity
4s4p Eav 102 295 105 464
ζ 4p 3080 3488 1.133
G1(4s, 4p) 78 837 67 261 0.853
4s5p Eav 326 870 329 516
ζ 5p 1011 1034 1.023
G1(4s, 5p) 8447 7119 0.843
4s4f Eav 364 634 366 853
ζ 4f 2.5 2.5 1.000 F
G3(4s, 4f) 12 367 9673 0.782
4p4d Eav 369 549 374 676
ζ 4p 3207 3563 1.111
ζ 4d 188 188 1.000 F
F2(4p, 4d) 47 132 43 235 0.917
G1(4p, 4d) 56 540 47 761 0.845
G3(4p, 4d) 35 164 35 408 1.007
4p5s Eav 402 856 406 797
ζ 4p 3335 4134 1.240
G1(4p, 5s) 7576 6819 0.900 F
4s4f–4p4d R1(4s, 4f; 4p, 4d) 44 911 41 100 0.915 R
R2(4s, 4f; 4p, 4d) 26 451 24 207 0.915 R

Notes.

(a)

F: fixed parameter value; Rn: ratios of these parameters have been fixed in the fitting process.

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